Geometry & MOs

Info

ID:	77987
PubChem CID:	49681388
Reduced:	S2O3N5C17H21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	452.097683
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	8.64
IP(EA), eV:	-8.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl(ethyl)sulfamoyl]-N-thieno[2,3-d]pyrimidin-4-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC(=O)NCC=C

DOS

IR

Vibrations